Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVYIGNGHYCYSNSTAMFLSSIGENVSPQLVEILTGVGLG-------AMIEY-E-KNL-Y--FSMRDPDDGINYALNILGFTAEEHQQ--ASDLDDPFPLLKQQIK-QNPVILGPLDMGELTYHPNHKNLNGSDHYVLGYQMDN--ENIYVQDPAGFP--FVPLSLDQFKKAWMAERIPYRKGINKYWSTAKKVVTLDNNEIYERAIDYFKRTYRKFEKVDIGLIGREAICFYADQLLNAPITADTIRHTTFFLFQLSARRANDYAMYFKDRHSHLSVLKTEQAKVFGICHSMSVNKDWKGISEKLMKLADLEDNFRLELLKVGY 2BU3 Chain:A ((77-235)) ------NQAYCGVASIIMVLNSLGINA------------YRVFTQDNFFS---TKAVIAPEVVARQGMTLDELGRLIASYGVKVKVNHASDT-NIEDFRKQVAENLKQDGNFVIVNYLRKEIG-------QERGGHISPLAAYNEQTDRFLIMDVSRYKYPPVWVKTTDLWKAMNTV-----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BU3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 489 -12238 -25.03 -94.86 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -25.03 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.269

(partial model without unconserved sides chains): PDB file : Tito_2BU3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BU3-query.scw PDB file : Tito_Scwrl_2BU3.pdb: